Re: rigid protein

From: Mark Abraham (
Date: Thu Oct 19 2006 - 10:44:27 CDT

Anahita Tafvizi wrote:
> Hi,
> I need to treat my protein as a solid object but not fix it. I mean I
> want to move it, but I don't want it to be unfold during the movement.
> with the lines that you sent to us, the protein will be totally fixed. I
> wonder if there is a way to constrain it to itself which means the
> protein atoms will be fixed compared to each other.

If you're using PBC, it's equivalent. You want internal degrees of
freedom fixed, and since the external ones under PBC are irrelevant, you
may as well fix them all.


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